Molecule ID: mol3340
SMILES: Nc1c(Cl)cc([N+](=O)[O-])cc1Cl
InChI: InChI=1S/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -3.27 | AttenGpKa training set | 1 » 0 |
| -3.20 | IUPAC digitized pKa | 1 » 0 |
| -2.98 | Datawarrior | 1 » 0 |
| -2.98 | OCHEM | 1 » 0 |
| -2.55 | IUPAC digitized pKa | 1 » 0 |
| -2.55 | IUPAC digitized pKa | 1 » 0 |
| -2.55 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| -2.55 | OCHEM | 1 » 0 |
| -2.55 | OCHEM | 1 » 0 |
| -2.55 | OCHEM | 1 » 0 |
| -2.55 | OCHEM | 1 » 0 |
| -2.55 | QSARToolbox | 1 » 0 |